Sugi Predict

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SCHEMBL103863

SCHEMBL103863

CNC(=O)Nc1cc(-c2cccc(CC(=O)N3Cc4ccc(F)cc4C3)c2)cn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MGAT3 Q09327 4/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ MGAT2 Q10469 1/20 0.40
▸ CALCRL Q16602 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ NAMPT P43490 8/20 0.37
▸ MOGAT2 Q3SYC2 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ EP300 Q09472 1/20 0.34
▸ CREBBP Q92793 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL104651 0.91 HDAC1 (0.38) ROCK2ROCK1CALCRLBTKHDAC1
SCHEMBL103354 0.89 ADORA1 (0.38) MGAT3CALCRLBTKHDAC1BRD4
SCHEMBL13893943 0.84 ROCK1 (0.46) ROCK2ROCK1MGAT3DGAT1MGAT2
SCHEMBL12650368 0.82 BTK (0.37) CALCRLBTKBRD4
SCHEMBL12602931 0.82 BTK (0.37) CALCRLBTKBRD4
SCHEMBL105269 0.78 BTK (0.35) CALCRLBTKBRD4
SCHEMBL107567 0.78 BTK (0.38) CALCRLBTKHDAC1BRD4
SCHEMBL104588 0.78 BTK (0.47) ROCK2CALCRLBTKNAMPTBRD4
SCHEMBL12650328 0.77 BTK (0.36) CALCRLBTKHDAC1BRD4
SCHEMBL3656572 0.75 BTK (0.34) CALCRLBTKBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 — — US claimed
EP-2426109-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-18 — — EP disclosed
CN-101835755-B Novel kinase inhibitors HOFFMANN LA ROCHE 2013-12-11 — — CN disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 — — EP disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 — — US disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 — — US disclosed
CN-101835755-A Novel kinase inhibitors HOFFMANN LA ROCHE 2010-09-15 — — CN disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 — — US disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN ROCK2 871/4885ROCK1 389/4885MGAT3 3827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.